Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL26845639 | 0.72 | KDM4E (0.49) | SCN10ATSHRKDM4EALDH1A1GLA | |
| SCHEMBL25389487 | 0.70 | KMT2A (0.40) | SCN10ATSHRALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL21921085 | 0.69 | KDM4E (0.46) | SCN10ATSHRKDM4EALDH1A1GLA | |
| SCHEMBL20517299 | 0.69 | KDM4E (0.46) | SCN10ATSHRKDM4EALDH1A1GLA | |
| SCHEMBL20517193 | 0.68 | KDM4E (0.49) | SCN10ACNR2TSHRKDM4EALDH1A1 | |
| SCHEMBL17145075 | 0.68 | KMT2A (0.48) | CNR2TSHRKDM4EALDH1A1GLA | |
| SCHEMBL18135111 | 0.68 | HRH4 (0.48) | CNR2KDM4EALDH1A1GAACYP1A2 | |
| SCHEMBL17145030 | 0.67 | KMT2A (0.47) | CNR2TSHRKDM4EALDH1A1GLA | |
| SCHEMBL38653920 | 0.66 | KDM4E (0.42) | SCN10ATSHRKDM4EALDH1A1GLA | |
| SCHEMBL2224245 | 0.66 | MAPT (0.44) | SCN10AKDM4ELMNAMAPTL3MBTL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3203840-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057572-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | MILLER MARK THOMAS (US) | 2016-04-14 | — | — | WO | disclosed |